Geometry & MOs

Info

ID:	418641
PubChem CID:	135106492
Reduced:	SO4N5C15H21 (1)
Stoich.:	AB4C5D15E21 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	4.72
IP(EA), eV:	-9.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CN2N=C3C=CC=CC3=N2

DOS

IR

Vibrations